2-azanyl-3-[(4-methylphenyl)methylsulfanyl]-4-phenyl-3-(phenylmethyl)butanoic acid

Systemtic Name: 2-azanyl-3-[(4-methylphenyl)methylsulfanyl]-4-phenyl-3-(phenylmethyl)butanoic acid Openeye Name: 2-amino-3-benzyl-4-phenyl-3-(p-tolylmethylsulfanyl)butanoic acid CAS Name: 2-amino-3-[(4-methylphenyl)methylthio]-4-phenyl-3-(phenylmethyl)butanoic acid IUPAC Name: 2-amino-3-benzyl-3-[(4-methylphenyl)methylsulfanyl]-4-phenylbutanoic acid Traditional Name: 2-amino-3-benzyl-3-[(4-methylbenzyl)thio]-4-phenyl-butyric acid Formula: C25H27NO2S MolecularWeight: 405.55238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC(CC2=CC=CC=C2)(CC3=CC=CC=C3)C(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)CSC(CC2=CC=CC=C2)(CC3=CC=CC=C3)C(C(=O)O)N

InChI

InChI=1S/C25H27NO2S/c1-19-12-14-22(15-13-19)18-29-25(23(26)24(27)28,16-20-8-4-2-5-9-20)17-21-10-6-3-7-11-21/h2-15,23H,16-18,26H2,1H3,(H,27,28)